4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine

C13H10BrCl2N — CID 107958110

IUPAC4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine
SMILESClc1cc(Br)cc(C(Cl)Cc2ccncc2)c1
InChIInChI=1S/C13H10BrCl2N/c14-11-6-10(7-12(15)8-11)13(16)5-9-1-3-17-4-2-9/h1-4,6-8,13H,5H2
InChIKeyYWIOMTFDKJUQOP-UHFFFAOYSA-N
MW331.04 g/mol
LogP5.02
Rot. Bonds3

About 4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine

4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine (PubChem CID 107958110) has the molecular formula C13H10BrCl2N and a molecular weight of 331.04 g/mol. Its IUPAC name is 4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine.

Molecular Properties

Compound Name4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine
PubChem CID107958110
Molecular FormulaC13H10BrCl2N
Molecular Weight331.04 g/mol
Exact Mass328.94
IUPAC Name4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine
SMILESClc1cc(Br)cc(C(Cl)Cc2ccncc2)c1
InChIInChI=1S/C13H10BrCl2N/c14-11-6-10(7-12(15)8-11)13(16)5-9-1-3-17-4-2-9/h1-4,6-8,13H,5H2
InChIKeyYWIOMTFDKJUQOP-UHFFFAOYSA-N
XLogP5.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.04
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]thiophene
CID 107957931
N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946178
4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
CID 66452456
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118
1-bromo-3-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-5-fluorobenzene
CID 63542506
4-(2-chloro-2-thiophen-3-ylethyl)pyridine
CID 66461794
4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine
CID 66459574
1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene
CID 107958041
4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
CID 80538308
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene
CID 107955839
4-[1-chloro-2-(4-methylphenyl)ethyl]pyridine
CID 63016107
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine?
The IUPAC name of 4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine (CID 107958110) is 4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine.
What is the SMILES notation for 4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine?
The canonical SMILES for 4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine is Clc1cc(Br)cc(C(Cl)Cc2ccncc2)c1.
What is the InChIKey of 4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine?
The InChIKey is YWIOMTFDKJUQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N/c14-11-6-10(7-12(15)8-11)13(16)5-9-1-3-17-4-2-9/h1-4,6-8,13H,5H2.
What are the key properties of 4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine?
4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine has a molecular weight of 331.04 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine is sourced from PubChem (CID 107958110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).